USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 365 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -164:sc= -0.0126 (180deg=-0.239) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.0718 USER MOD Single : A 6 ASN : amide:sc= 1.03 K(o=1,f=-5.7!) USER MOD Single : A 11 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= 0.43 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -107:sc= -0.383 (180deg=-3.2!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 18 SER OG : rot -107:sc= 1.22 USER MOD Single : A 22 THR OG1 : rot 111:sc= 0.37 USER MOD Single : A 29 SER OG : rot -173:sc= 1.24 USER MOD Single : A 33 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.16 (180deg=-0.733) USER MOD Single : A 40 ASN : amide:sc= -0.5 K(o=-0.5,f=-1.3) USER MOD Single : A 47 TYR OH : rot -18:sc= 0.0753 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.516 1.500 -16.552 1.00 0.00 N ATOM 2 CA ASP A 1 10.362 0.748 -15.986 1.00 0.00 C ATOM 3 C ASP A 1 9.527 1.684 -15.103 1.00 0.00 C ATOM 4 O ASP A 1 8.312 1.639 -15.135 1.00 0.00 O ATOM 5 CB ASP A 1 10.870 -0.437 -15.138 1.00 0.00 C ATOM 6 CG ASP A 1 9.679 -1.305 -14.686 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.078 -0.933 -13.690 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.436 -2.290 -15.363 1.00 0.00 O ATOM 0 H1 ASP A 1 11.922 0.966 -17.347 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.193 2.430 -16.888 1.00 0.00 H new ATOM 0 H3 ASP A 1 12.240 1.630 -15.817 1.00 0.00 H new ATOM 0 HA ASP A 1 9.748 0.367 -16.803 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.570 -1.038 -15.719 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.413 -0.067 -14.268 1.00 0.00 H new ATOM 15 N ARG A 2 10.221 2.499 -14.347 1.00 0.00 N ATOM 16 CA ARG A 2 9.575 3.482 -13.420 1.00 0.00 C ATOM 17 C ARG A 2 8.645 2.769 -12.421 1.00 0.00 C ATOM 18 O ARG A 2 7.444 2.969 -12.410 1.00 0.00 O ATOM 19 CB ARG A 2 8.780 4.526 -14.265 1.00 0.00 C ATOM 20 CG ARG A 2 9.756 5.320 -15.167 1.00 0.00 C ATOM 21 CD ARG A 2 9.001 6.473 -15.870 1.00 0.00 C ATOM 22 NE ARG A 2 8.517 6.001 -17.204 1.00 0.00 N ATOM 23 CZ ARG A 2 7.503 5.181 -17.280 1.00 0.00 C ATOM 24 NH1 ARG A 2 6.297 5.649 -17.115 1.00 0.00 N ATOM 25 NH2 ARG A 2 7.733 3.919 -17.520 1.00 0.00 N ATOM 0 H ARG A 2 11.241 2.524 -14.334 1.00 0.00 H new ATOM 0 HA ARG A 2 10.346 3.991 -12.842 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.034 4.020 -14.877 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.242 5.208 -13.606 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.574 5.721 -14.569 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.199 4.657 -15.910 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.159 6.799 -15.259 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.659 7.334 -15.992 1.00 0.00 H new ATOM 0 HE ARG A 2 8.979 6.320 -18.056 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.156 6.642 -16.930 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.494 5.022 -17.171 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.690 3.590 -17.644 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.955 3.262 -17.583 1.00 0.00 H new ATOM 39 N ILE A 3 9.258 1.946 -11.607 1.00 0.00 N ATOM 40 CA ILE A 3 8.524 1.166 -10.565 1.00 0.00 C ATOM 41 C ILE A 3 8.403 2.033 -9.291 1.00 0.00 C ATOM 42 O ILE A 3 8.647 1.593 -8.183 1.00 0.00 O ATOM 43 CB ILE A 3 9.334 -0.159 -10.327 1.00 0.00 C ATOM 44 CG1 ILE A 3 8.588 -1.145 -9.379 1.00 0.00 C ATOM 45 CG2 ILE A 3 10.759 0.138 -9.787 1.00 0.00 C ATOM 46 CD1 ILE A 3 7.179 -1.441 -9.926 1.00 0.00 C ATOM 0 H ILE A 3 10.264 1.779 -11.623 1.00 0.00 H new ATOM 0 HA ILE A 3 7.510 0.905 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 3 9.426 -0.644 -11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.154 -2.072 -9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.516 -0.716 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.293 -0.800 -9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.301 0.750 -10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.685 0.673 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.666 -2.131 -9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.612 -0.512 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.260 -1.889 -10.916 1.00 0.00 H new ATOM 58 N CYS A 4 8.016 3.267 -9.500 1.00 0.00 N ATOM 59 CA CYS A 4 7.860 4.223 -8.364 1.00 0.00 C ATOM 60 C CYS A 4 6.482 4.122 -7.696 1.00 0.00 C ATOM 61 O CYS A 4 5.815 5.102 -7.419 1.00 0.00 O ATOM 62 CB CYS A 4 8.148 5.630 -8.934 1.00 0.00 C ATOM 63 SG CYS A 4 9.910 6.028 -8.893 1.00 0.00 S ATOM 0 H CYS A 4 7.800 3.655 -10.418 1.00 0.00 H new ATOM 0 HA CYS A 4 8.560 3.987 -7.563 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.787 5.686 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.595 6.374 -8.361 1.00 0.00 H new ATOM 68 N THR A 5 6.119 2.889 -7.460 1.00 0.00 N ATOM 69 CA THR A 5 4.819 2.547 -6.812 1.00 0.00 C ATOM 70 C THR A 5 5.032 2.494 -5.297 1.00 0.00 C ATOM 71 O THR A 5 6.145 2.617 -4.825 1.00 0.00 O ATOM 72 CB THR A 5 4.337 1.170 -7.320 1.00 0.00 C ATOM 73 OG1 THR A 5 5.503 0.357 -7.383 1.00 0.00 O ATOM 74 CG2 THR A 5 3.844 1.269 -8.767 1.00 0.00 C ATOM 0 H THR A 5 6.690 2.078 -7.698 1.00 0.00 H new ATOM 0 HA THR A 5 4.067 3.297 -7.056 1.00 0.00 H new ATOM 0 HB THR A 5 3.544 0.793 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.400 -0.308 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.509 0.288 -9.105 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.015 1.974 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.657 1.615 -9.405 1.00 0.00 H new ATOM 82 N ASN A 6 3.950 2.322 -4.584 1.00 0.00 N ATOM 83 CA ASN A 6 4.016 2.247 -3.090 1.00 0.00 C ATOM 84 C ASN A 6 2.741 1.596 -2.530 1.00 0.00 C ATOM 85 O ASN A 6 1.751 1.469 -3.224 1.00 0.00 O ATOM 86 CB ASN A 6 4.196 3.680 -2.523 1.00 0.00 C ATOM 87 CG ASN A 6 3.251 4.652 -3.219 1.00 0.00 C ATOM 88 OD1 ASN A 6 2.047 4.543 -3.115 1.00 0.00 O ATOM 89 ND2 ASN A 6 3.768 5.610 -3.934 1.00 0.00 N ATOM 0 H ASN A 6 3.013 2.229 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 6 4.864 1.631 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.002 3.680 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.227 4.005 -2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.160 6.275 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.781 5.695 -4.017 1.00 0.00 H new ATOM 96 N CYS A 7 2.817 1.215 -1.280 1.00 0.00 N ATOM 97 CA CYS A 7 1.678 0.558 -0.566 1.00 0.00 C ATOM 98 C CYS A 7 0.471 1.489 -0.335 1.00 0.00 C ATOM 99 O CYS A 7 -0.546 1.068 0.183 1.00 0.00 O ATOM 100 CB CYS A 7 2.228 0.029 0.776 1.00 0.00 C ATOM 101 SG CYS A 7 1.051 -0.383 2.088 1.00 0.00 S ATOM 0 H CYS A 7 3.651 1.337 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 7 1.293 -0.248 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.815 -0.865 0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.916 0.777 1.170 1.00 0.00 H new ATOM 106 N CYS A 8 0.620 2.727 -0.724 1.00 0.00 N ATOM 107 CA CYS A 8 -0.485 3.727 -0.553 1.00 0.00 C ATOM 108 C CYS A 8 -1.430 3.823 -1.762 1.00 0.00 C ATOM 109 O CYS A 8 -2.625 3.628 -1.643 1.00 0.00 O ATOM 110 CB CYS A 8 0.136 5.092 -0.299 1.00 0.00 C ATOM 111 SG CYS A 8 -1.002 6.435 0.115 1.00 0.00 S ATOM 0 H CYS A 8 1.466 3.096 -1.157 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.093 3.391 0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.856 4.993 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.696 5.382 -1.188 1.00 0.00 H new ATOM 116 N ALA A 9 -0.833 4.127 -2.886 1.00 0.00 N ATOM 117 CA ALA A 9 -1.542 4.284 -4.197 1.00 0.00 C ATOM 118 C ALA A 9 -2.633 3.246 -4.527 1.00 0.00 C ATOM 119 O ALA A 9 -3.797 3.593 -4.546 1.00 0.00 O ATOM 120 CB ALA A 9 -0.475 4.275 -5.307 1.00 0.00 C ATOM 0 H ALA A 9 0.173 4.281 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.091 5.223 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.959 4.388 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.220 5.100 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.070 3.331 -5.280 1.00 0.00 H new ATOM 126 N GLY A 10 -2.197 2.032 -4.769 1.00 0.00 N ATOM 127 CA GLY A 10 -3.070 0.853 -5.118 1.00 0.00 C ATOM 128 C GLY A 10 -4.574 1.111 -5.299 1.00 0.00 C ATOM 129 O GLY A 10 -4.966 1.786 -6.230 1.00 0.00 O ATOM 0 H GLY A 10 -1.206 1.794 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.691 0.416 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.949 0.103 -4.337 1.00 0.00 H new ATOM 133 N THR A 11 -5.353 0.562 -4.394 1.00 0.00 N ATOM 134 CA THR A 11 -6.848 0.706 -4.421 1.00 0.00 C ATOM 135 C THR A 11 -7.430 -0.183 -3.326 1.00 0.00 C ATOM 136 O THR A 11 -7.131 -1.357 -3.284 1.00 0.00 O ATOM 137 CB THR A 11 -7.421 0.262 -5.818 1.00 0.00 C ATOM 138 OG1 THR A 11 -7.575 1.476 -6.542 1.00 0.00 O ATOM 139 CG2 THR A 11 -8.872 -0.285 -5.752 1.00 0.00 C ATOM 0 H THR A 11 -5.004 0.004 -3.615 1.00 0.00 H new ATOM 0 HA THR A 11 -7.119 1.749 -4.256 1.00 0.00 H new ATOM 0 HB THR A 11 -6.760 -0.501 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.714 1.941 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.199 -0.571 -6.752 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.903 -1.156 -5.097 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.534 0.487 -5.361 1.00 0.00 H new ATOM 147 N LYS A 12 -8.243 0.400 -2.479 1.00 0.00 N ATOM 148 CA LYS A 12 -8.875 -0.376 -1.368 1.00 0.00 C ATOM 149 C LYS A 12 -9.510 -1.663 -1.920 1.00 0.00 C ATOM 150 O LYS A 12 -10.494 -1.618 -2.632 1.00 0.00 O ATOM 151 CB LYS A 12 -9.946 0.510 -0.691 1.00 0.00 C ATOM 152 CG LYS A 12 -10.511 -0.180 0.587 1.00 0.00 C ATOM 153 CD LYS A 12 -11.823 -0.955 0.290 1.00 0.00 C ATOM 154 CE LYS A 12 -13.006 0.015 0.078 1.00 0.00 C ATOM 155 NZ LYS A 12 -13.554 0.447 1.393 1.00 0.00 N ATOM 0 H LYS A 12 -8.497 1.387 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.120 -0.658 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.512 1.474 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.757 0.707 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.766 -0.867 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.698 0.572 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.691 -1.572 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.046 -1.630 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.676 0.884 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.786 -0.472 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.566 0.212 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.047 -0.043 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.432 1.474 1.499 1.00 0.00 H new ATOM 169 N GLY A 13 -8.900 -2.766 -1.564 1.00 0.00 N ATOM 170 CA GLY A 13 -9.387 -4.105 -2.014 1.00 0.00 C ATOM 171 C GLY A 13 -8.262 -4.927 -2.655 1.00 0.00 C ATOM 172 O GLY A 13 -8.300 -6.141 -2.601 1.00 0.00 O ATOM 0 H GLY A 13 -8.071 -2.795 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.797 -4.649 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.198 -3.976 -2.730 1.00 0.00 H new ATOM 176 N CYS A 14 -7.292 -4.260 -3.239 1.00 0.00 N ATOM 177 CA CYS A 14 -6.156 -4.989 -3.891 1.00 0.00 C ATOM 178 C CYS A 14 -5.129 -5.459 -2.852 1.00 0.00 C ATOM 179 O CYS A 14 -5.339 -5.281 -1.669 1.00 0.00 O ATOM 180 CB CYS A 14 -5.493 -4.044 -4.904 1.00 0.00 C ATOM 181 SG CYS A 14 -6.460 -3.605 -6.369 1.00 0.00 S ATOM 0 H CYS A 14 -7.239 -3.243 -3.292 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.539 -5.876 -4.396 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.227 -3.123 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.562 -4.503 -5.237 1.00 0.00 H new ATOM 186 N LYS A 15 -4.056 -6.047 -3.323 1.00 0.00 N ATOM 187 CA LYS A 15 -2.978 -6.550 -2.412 1.00 0.00 C ATOM 188 C LYS A 15 -1.601 -6.238 -3.018 1.00 0.00 C ATOM 189 O LYS A 15 -1.157 -6.930 -3.915 1.00 0.00 O ATOM 190 CB LYS A 15 -3.115 -8.088 -2.222 1.00 0.00 C ATOM 191 CG LYS A 15 -4.301 -8.439 -1.282 1.00 0.00 C ATOM 192 CD LYS A 15 -5.179 -9.553 -1.906 1.00 0.00 C ATOM 193 CE LYS A 15 -6.275 -8.926 -2.787 1.00 0.00 C ATOM 194 NZ LYS A 15 -6.702 -9.893 -3.839 1.00 0.00 N ATOM 0 H LYS A 15 -3.878 -6.202 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.075 -6.056 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.264 -8.564 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.190 -8.489 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.921 -8.767 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.905 -7.550 -1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.561 -10.224 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.633 -10.154 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.130 -8.644 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.902 -8.013 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.331 -9.588 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.332 -10.838 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.741 -9.928 -3.877 1.00 0.00 H new ATOM 208 N TYR A 16 -0.967 -5.203 -2.515 1.00 0.00 N ATOM 209 CA TYR A 16 0.388 -4.812 -3.028 1.00 0.00 C ATOM 210 C TYR A 16 1.307 -6.018 -2.856 1.00 0.00 C ATOM 211 O TYR A 16 1.336 -6.605 -1.793 1.00 0.00 O ATOM 212 CB TYR A 16 0.983 -3.661 -2.221 1.00 0.00 C ATOM 213 CG TYR A 16 0.091 -2.420 -2.257 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.247 -1.454 -3.233 1.00 0.00 C ATOM 215 CD2 TYR A 16 -0.875 -2.242 -1.292 1.00 0.00 C ATOM 216 CE1 TYR A 16 -0.551 -0.331 -3.232 1.00 0.00 C ATOM 217 CE2 TYR A 16 -1.666 -1.122 -1.295 1.00 0.00 C ATOM 218 CZ TYR A 16 -1.515 -0.160 -2.258 1.00 0.00 C ATOM 219 OH TYR A 16 -2.324 0.956 -2.222 1.00 0.00 O ATOM 0 H TYR A 16 -1.331 -4.610 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 16 0.294 -4.498 -4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.124 -3.977 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.968 -3.412 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.997 -1.580 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.011 -2.991 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.422 0.420 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.417 -0.997 -0.529 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.939 0.890 -1.462 1.00 0.00 H new ATOM 229 N PHE A 17 2.028 -6.351 -3.889 1.00 0.00 N ATOM 230 CA PHE A 17 2.949 -7.515 -3.816 1.00 0.00 C ATOM 231 C PHE A 17 4.237 -7.246 -4.607 1.00 0.00 C ATOM 232 O PHE A 17 4.279 -6.450 -5.530 1.00 0.00 O ATOM 233 CB PHE A 17 2.107 -8.703 -4.332 1.00 0.00 C ATOM 234 CG PHE A 17 2.906 -9.866 -4.917 1.00 0.00 C ATOM 235 CD1 PHE A 17 3.537 -9.742 -6.136 1.00 0.00 C ATOM 236 CD2 PHE A 17 2.989 -11.062 -4.232 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.238 -10.798 -6.663 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.689 -12.121 -4.757 1.00 0.00 C ATOM 239 CZ PHE A 17 4.316 -11.988 -5.977 1.00 0.00 C ATOM 0 H PHE A 17 2.018 -5.863 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 17 3.314 -7.727 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.498 -9.079 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.420 -8.336 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.480 -8.810 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.499 -11.166 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.730 -10.694 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.748 -13.054 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.868 -12.817 -6.394 1.00 0.00 H new ATOM 249 N SER A 18 5.243 -7.968 -4.182 1.00 0.00 N ATOM 250 CA SER A 18 6.610 -7.888 -4.776 1.00 0.00 C ATOM 251 C SER A 18 6.976 -9.105 -5.632 1.00 0.00 C ATOM 252 O SER A 18 6.762 -10.243 -5.259 1.00 0.00 O ATOM 253 CB SER A 18 7.634 -7.742 -3.629 1.00 0.00 C ATOM 254 OG SER A 18 8.892 -8.052 -4.218 1.00 0.00 O ATOM 0 H SER A 18 5.167 -8.637 -3.416 1.00 0.00 H new ATOM 0 HA SER A 18 6.626 -7.025 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.628 -6.732 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.405 -8.420 -2.807 1.00 0.00 H new ATOM 0 HG SER A 18 9.191 -8.932 -3.906 1.00 0.00 H new ATOM 260 N ASP A 19 7.550 -8.750 -6.752 1.00 0.00 N ATOM 261 CA ASP A 19 8.029 -9.703 -7.805 1.00 0.00 C ATOM 262 C ASP A 19 8.850 -10.871 -7.247 1.00 0.00 C ATOM 263 O ASP A 19 8.924 -11.915 -7.866 1.00 0.00 O ATOM 264 CB ASP A 19 8.900 -8.931 -8.812 1.00 0.00 C ATOM 265 CG ASP A 19 9.919 -8.066 -8.026 1.00 0.00 C ATOM 266 OD1 ASP A 19 10.960 -8.615 -7.700 1.00 0.00 O ATOM 267 OD2 ASP A 19 9.602 -6.911 -7.790 1.00 0.00 O ATOM 0 H ASP A 19 7.717 -7.773 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 19 7.142 -10.129 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.422 -9.625 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.277 -8.299 -9.445 1.00 0.00 H new ATOM 272 N ASP A 20 9.441 -10.655 -6.097 1.00 0.00 N ATOM 273 CA ASP A 20 10.274 -11.715 -5.453 1.00 0.00 C ATOM 274 C ASP A 20 9.481 -13.021 -5.249 1.00 0.00 C ATOM 275 O ASP A 20 10.054 -14.093 -5.187 1.00 0.00 O ATOM 276 CB ASP A 20 10.778 -11.164 -4.097 1.00 0.00 C ATOM 277 CG ASP A 20 9.688 -11.311 -3.015 1.00 0.00 C ATOM 278 OD1 ASP A 20 8.662 -10.673 -3.188 1.00 0.00 O ATOM 279 OD2 ASP A 20 9.945 -12.053 -2.083 1.00 0.00 O ATOM 0 H ASP A 20 9.380 -9.782 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 20 11.114 -11.961 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.677 -11.700 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.053 -10.115 -4.204 1.00 0.00 H new ATOM 284 N GLY A 21 8.185 -12.865 -5.151 1.00 0.00 N ATOM 285 CA GLY A 21 7.256 -14.012 -4.951 1.00 0.00 C ATOM 286 C GLY A 21 6.652 -13.892 -3.556 1.00 0.00 C ATOM 287 O GLY A 21 6.365 -14.896 -2.930 1.00 0.00 O ATOM 0 H GLY A 21 7.721 -11.958 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.472 -14.003 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.789 -14.957 -5.055 1.00 0.00 H new ATOM 291 N THR A 22 6.477 -12.670 -3.105 1.00 0.00 N ATOM 292 CA THR A 22 5.898 -12.449 -1.749 1.00 0.00 C ATOM 293 C THR A 22 5.021 -11.196 -1.685 1.00 0.00 C ATOM 294 O THR A 22 5.248 -10.218 -2.370 1.00 0.00 O ATOM 295 CB THR A 22 7.052 -12.318 -0.761 1.00 0.00 C ATOM 296 OG1 THR A 22 7.794 -13.525 -0.869 1.00 0.00 O ATOM 297 CG2 THR A 22 6.579 -12.289 0.706 1.00 0.00 C ATOM 0 H THR A 22 6.711 -11.821 -3.620 1.00 0.00 H new ATOM 0 HA THR A 22 5.257 -13.296 -1.503 1.00 0.00 H new ATOM 0 HB THR A 22 7.594 -11.400 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.661 -13.340 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.442 -12.195 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.913 -11.440 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.047 -13.212 0.935 1.00 0.00 H new ATOM 305 N PHE A 23 4.029 -11.280 -0.840 1.00 0.00 N ATOM 306 CA PHE A 23 3.067 -10.160 -0.629 1.00 0.00 C ATOM 307 C PHE A 23 3.798 -9.027 0.118 1.00 0.00 C ATOM 308 O PHE A 23 4.746 -9.274 0.837 1.00 0.00 O ATOM 309 CB PHE A 23 1.905 -10.772 0.155 1.00 0.00 C ATOM 310 CG PHE A 23 1.035 -9.729 0.877 1.00 0.00 C ATOM 311 CD1 PHE A 23 1.380 -9.275 2.140 1.00 0.00 C ATOM 312 CD2 PHE A 23 -0.112 -9.242 0.279 1.00 0.00 C ATOM 313 CE1 PHE A 23 0.590 -8.351 2.792 1.00 0.00 C ATOM 314 CE2 PHE A 23 -0.900 -8.318 0.931 1.00 0.00 C ATOM 315 CZ PHE A 23 -0.550 -7.874 2.186 1.00 0.00 C ATOM 0 H PHE A 23 3.841 -12.105 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 23 2.682 -9.714 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.279 -11.346 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.302 -11.473 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.274 -9.647 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.392 -9.588 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.866 -8.002 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.794 -7.942 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.170 -7.151 2.695 1.00 0.00 H new ATOM 325 N VAL A 24 3.330 -7.819 -0.078 1.00 0.00 N ATOM 326 CA VAL A 24 3.942 -6.619 0.576 1.00 0.00 C ATOM 327 C VAL A 24 2.952 -5.947 1.545 1.00 0.00 C ATOM 328 O VAL A 24 3.251 -5.789 2.713 1.00 0.00 O ATOM 329 CB VAL A 24 4.377 -5.647 -0.561 1.00 0.00 C ATOM 330 CG1 VAL A 24 4.920 -4.330 0.022 1.00 0.00 C ATOM 331 CG2 VAL A 24 5.484 -6.312 -1.414 1.00 0.00 C ATOM 0 H VAL A 24 2.532 -7.609 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 24 4.805 -6.908 1.176 1.00 0.00 H new ATOM 0 HB VAL A 24 3.505 -5.428 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.217 -3.668 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.144 -3.848 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.784 -4.540 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.788 -5.632 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.343 -6.539 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.102 -7.234 -1.852 1.00 0.00 H new ATOM 341 N CYS A 25 1.807 -5.573 1.031 1.00 0.00 N ATOM 342 CA CYS A 25 0.760 -4.905 1.874 1.00 0.00 C ATOM 343 C CYS A 25 -0.608 -4.962 1.180 1.00 0.00 C ATOM 344 O CYS A 25 -0.723 -5.515 0.104 1.00 0.00 O ATOM 345 CB CYS A 25 1.173 -3.437 2.133 1.00 0.00 C ATOM 346 SG CYS A 25 0.169 -2.088 1.464 1.00 0.00 S ATOM 0 H CYS A 25 1.548 -5.702 0.053 1.00 0.00 H new ATOM 0 HA CYS A 25 0.678 -5.430 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.224 -3.299 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.185 -3.311 1.748 1.00 0.00 H new ATOM 351 N GLU A 26 -1.603 -4.390 1.811 1.00 0.00 N ATOM 352 CA GLU A 26 -2.989 -4.385 1.240 1.00 0.00 C ATOM 353 C GLU A 26 -3.492 -3.003 0.827 1.00 0.00 C ATOM 354 O GLU A 26 -3.114 -1.994 1.392 1.00 0.00 O ATOM 355 CB GLU A 26 -3.947 -4.966 2.285 1.00 0.00 C ATOM 356 CG GLU A 26 -4.117 -6.500 2.073 1.00 0.00 C ATOM 357 CD GLU A 26 -5.588 -6.838 1.746 1.00 0.00 C ATOM 358 OE1 GLU A 26 -6.070 -6.313 0.754 1.00 0.00 O ATOM 359 OE2 GLU A 26 -6.154 -7.606 2.508 1.00 0.00 O ATOM 0 H GLU A 26 -1.514 -3.919 2.711 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.955 -4.984 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.564 -4.771 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.916 -4.473 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.471 -6.835 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.805 -7.034 2.970 1.00 0.00 H new ATOM 366 N GLY A 27 -4.349 -3.046 -0.166 1.00 0.00 N ATOM 367 CA GLY A 27 -4.991 -1.833 -0.752 1.00 0.00 C ATOM 368 C GLY A 27 -5.655 -1.018 0.355 1.00 0.00 C ATOM 369 O GLY A 27 -6.641 -1.451 0.919 1.00 0.00 O ATOM 0 H GLY A 27 -4.640 -3.916 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.245 -1.227 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.732 -2.125 -1.496 1.00 0.00 H new ATOM 373 N GLU A 28 -5.081 0.126 0.624 1.00 0.00 N ATOM 374 CA GLU A 28 -5.619 1.034 1.688 1.00 0.00 C ATOM 375 C GLU A 28 -6.168 2.365 1.138 1.00 0.00 C ATOM 376 O GLU A 28 -6.742 3.148 1.874 1.00 0.00 O ATOM 377 CB GLU A 28 -4.487 1.308 2.699 1.00 0.00 C ATOM 378 CG GLU A 28 -5.066 1.377 4.124 1.00 0.00 C ATOM 379 CD GLU A 28 -3.911 1.595 5.118 1.00 0.00 C ATOM 380 OE1 GLU A 28 -3.358 0.590 5.538 1.00 0.00 O ATOM 381 OE2 GLU A 28 -3.645 2.752 5.399 1.00 0.00 O ATOM 0 H GLU A 28 -4.251 0.477 0.146 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.465 0.534 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.736 0.521 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.987 2.245 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.788 2.191 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.599 0.456 4.360 1.00 0.00 H new ATOM 388 N SER A 29 -5.979 2.593 -0.136 1.00 0.00 N ATOM 389 CA SER A 29 -6.480 3.858 -0.758 1.00 0.00 C ATOM 390 C SER A 29 -7.992 3.732 -0.994 1.00 0.00 C ATOM 391 O SER A 29 -8.436 3.289 -2.035 1.00 0.00 O ATOM 392 CB SER A 29 -5.738 4.101 -2.096 1.00 0.00 C ATOM 393 OG SER A 29 -5.433 2.813 -2.615 1.00 0.00 O ATOM 0 H SER A 29 -5.499 1.958 -0.774 1.00 0.00 H new ATOM 0 HA SER A 29 -6.292 4.704 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.361 4.664 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.830 4.683 -1.938 1.00 0.00 H new ATOM 0 HG SER A 29 -4.866 2.906 -3.409 1.00 0.00 H new ATOM 399 N ASP A 30 -8.732 4.132 0.009 1.00 0.00 N ATOM 400 CA ASP A 30 -10.222 4.079 -0.053 1.00 0.00 C ATOM 401 C ASP A 30 -10.755 5.399 -0.655 1.00 0.00 C ATOM 402 O ASP A 30 -10.356 6.451 -0.198 1.00 0.00 O ATOM 403 CB ASP A 30 -10.737 3.853 1.389 1.00 0.00 C ATOM 404 CG ASP A 30 -12.189 4.332 1.552 1.00 0.00 C ATOM 405 OD1 ASP A 30 -12.341 5.516 1.799 1.00 0.00 O ATOM 406 OD2 ASP A 30 -13.049 3.479 1.417 1.00 0.00 O ATOM 0 H ASP A 30 -8.358 4.500 0.884 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.572 3.267 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.673 2.794 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.096 4.385 2.092 1.00 0.00 H new ATOM 411 N PRO A 31 -11.629 5.323 -1.639 1.00 0.00 N ATOM 412 CA PRO A 31 -12.199 6.530 -2.302 1.00 0.00 C ATOM 413 C PRO A 31 -13.175 7.268 -1.362 1.00 0.00 C ATOM 414 O PRO A 31 -14.378 7.207 -1.531 1.00 0.00 O ATOM 415 CB PRO A 31 -12.873 6.000 -3.581 1.00 0.00 C ATOM 416 CG PRO A 31 -13.059 4.471 -3.381 1.00 0.00 C ATOM 417 CD PRO A 31 -12.152 4.048 -2.209 1.00 0.00 C ATOM 0 HA PRO A 31 -11.442 7.274 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.833 6.489 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.258 6.205 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.101 4.236 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.792 3.930 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.711 3.483 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.339 3.407 -2.551 1.00 0.00 H new ATOM 425 N ARG A 32 -12.597 7.943 -0.399 1.00 0.00 N ATOM 426 CA ARG A 32 -13.344 8.732 0.626 1.00 0.00 C ATOM 427 C ARG A 32 -12.357 9.181 1.713 1.00 0.00 C ATOM 428 O ARG A 32 -12.454 10.292 2.198 1.00 0.00 O ATOM 429 CB ARG A 32 -14.466 7.867 1.276 1.00 0.00 C ATOM 430 CG ARG A 32 -15.836 8.419 0.827 1.00 0.00 C ATOM 431 CD ARG A 32 -16.934 7.358 1.033 1.00 0.00 C ATOM 432 NE ARG A 32 -17.403 7.431 2.448 1.00 0.00 N ATOM 433 CZ ARG A 32 -18.485 8.104 2.737 1.00 0.00 C ATOM 434 NH1 ARG A 32 -19.641 7.506 2.654 1.00 0.00 N ATOM 435 NH2 ARG A 32 -18.373 9.353 3.099 1.00 0.00 N ATOM 0 H ARG A 32 -11.585 7.979 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.806 9.595 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.362 6.824 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.384 7.896 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.078 9.317 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.793 8.708 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.764 7.534 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.546 6.363 0.813 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.881 6.958 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.690 6.528 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.496 8.016 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.452 9.788 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.207 9.894 3.328 1.00 0.00 H new ATOM 449 N ASN A 33 -11.438 8.311 2.065 1.00 0.00 N ATOM 450 CA ASN A 33 -10.434 8.662 3.118 1.00 0.00 C ATOM 451 C ASN A 33 -9.299 9.509 2.507 1.00 0.00 C ATOM 452 O ASN A 33 -9.076 9.435 1.315 1.00 0.00 O ATOM 453 CB ASN A 33 -9.877 7.340 3.749 1.00 0.00 C ATOM 454 CG ASN A 33 -8.919 6.518 2.858 1.00 0.00 C ATOM 455 OD1 ASN A 33 -8.625 6.832 1.722 1.00 0.00 O ATOM 456 ND2 ASN A 33 -8.408 5.429 3.370 1.00 0.00 N ATOM 0 H ASN A 33 -11.341 7.376 1.669 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.906 9.256 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.356 7.593 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.721 6.707 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.771 4.855 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.646 5.153 4.323 1.00 0.00 H new ATOM 463 N PRO A 34 -8.616 10.293 3.314 1.00 0.00 N ATOM 464 CA PRO A 34 -7.437 11.066 2.852 1.00 0.00 C ATOM 465 C PRO A 34 -6.216 10.147 2.642 1.00 0.00 C ATOM 466 O PRO A 34 -5.331 10.092 3.477 1.00 0.00 O ATOM 467 CB PRO A 34 -7.209 12.130 3.938 1.00 0.00 C ATOM 468 CG PRO A 34 -7.965 11.630 5.203 1.00 0.00 C ATOM 469 CD PRO A 34 -8.933 10.514 4.752 1.00 0.00 C ATOM 0 HA PRO A 34 -7.597 11.534 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.146 12.254 4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.587 13.101 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.262 11.252 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.513 12.448 5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.786 9.604 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.972 10.814 4.886 1.00 0.00 H new ATOM 477 N LYS A 35 -6.206 9.447 1.532 1.00 0.00 N ATOM 478 CA LYS A 35 -5.065 8.528 1.227 1.00 0.00 C ATOM 479 C LYS A 35 -3.794 9.376 1.014 1.00 0.00 C ATOM 480 O LYS A 35 -3.573 9.935 -0.043 1.00 0.00 O ATOM 481 CB LYS A 35 -5.415 7.699 -0.048 1.00 0.00 C ATOM 482 CG LYS A 35 -5.955 8.595 -1.209 1.00 0.00 C ATOM 483 CD LYS A 35 -7.480 8.395 -1.406 1.00 0.00 C ATOM 484 CE LYS A 35 -7.780 7.085 -2.155 1.00 0.00 C ATOM 485 NZ LYS A 35 -7.164 7.090 -3.513 1.00 0.00 N ATOM 0 H LYS A 35 -6.940 9.473 0.824 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.887 7.835 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.527 7.166 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.162 6.946 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.748 9.643 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.431 8.353 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.976 8.383 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.890 9.237 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.399 6.240 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.858 6.951 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.661 6.410 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.239 8.042 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.162 6.822 -3.441 1.00 0.00 H new ATOM 499 N ALA A 36 -2.995 9.439 2.050 1.00 0.00 N ATOM 500 CA ALA A 36 -1.725 10.227 1.999 1.00 0.00 C ATOM 501 C ALA A 36 -0.645 9.428 1.259 1.00 0.00 C ATOM 502 O ALA A 36 0.064 8.632 1.843 1.00 0.00 O ATOM 503 CB ALA A 36 -1.291 10.532 3.442 1.00 0.00 C ATOM 0 H ALA A 36 -3.171 8.972 2.940 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.876 11.162 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.365 11.107 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.069 11.108 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.130 9.597 3.979 1.00 0.00 H new ATOM 509 N CYS A 37 -0.577 9.687 -0.022 1.00 0.00 N ATOM 510 CA CYS A 37 0.410 9.006 -0.912 1.00 0.00 C ATOM 511 C CYS A 37 1.481 9.998 -1.417 1.00 0.00 C ATOM 512 O CYS A 37 1.233 10.728 -2.359 1.00 0.00 O ATOM 513 CB CYS A 37 -0.362 8.392 -2.089 1.00 0.00 C ATOM 514 SG CYS A 37 -1.596 7.129 -1.687 1.00 0.00 S ATOM 0 H CYS A 37 -1.179 10.358 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 37 0.934 8.228 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.863 9.199 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.361 7.954 -2.777 1.00 0.00 H new ATOM 519 N PRO A 38 2.641 10.009 -0.790 1.00 0.00 N ATOM 520 CA PRO A 38 3.821 10.735 -1.330 1.00 0.00 C ATOM 521 C PRO A 38 4.293 10.091 -2.643 1.00 0.00 C ATOM 522 O PRO A 38 3.851 9.017 -3.006 1.00 0.00 O ATOM 523 CB PRO A 38 4.894 10.668 -0.237 1.00 0.00 C ATOM 524 CG PRO A 38 4.366 9.701 0.859 1.00 0.00 C ATOM 525 CD PRO A 38 2.916 9.324 0.504 1.00 0.00 C ATOM 0 HA PRO A 38 3.588 11.772 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.839 10.309 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.082 11.657 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.990 8.809 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.407 10.177 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.801 8.244 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.223 9.652 1.279 1.00 0.00 H new ATOM 533 N ARG A 39 5.185 10.776 -3.312 1.00 0.00 N ATOM 534 CA ARG A 39 5.732 10.265 -4.608 1.00 0.00 C ATOM 535 C ARG A 39 6.888 9.277 -4.350 1.00 0.00 C ATOM 536 O ARG A 39 7.754 9.098 -5.187 1.00 0.00 O ATOM 537 CB ARG A 39 6.217 11.478 -5.439 1.00 0.00 C ATOM 538 CG ARG A 39 5.026 12.423 -5.750 1.00 0.00 C ATOM 539 CD ARG A 39 4.235 11.902 -6.967 1.00 0.00 C ATOM 540 NE ARG A 39 2.856 12.473 -6.906 1.00 0.00 N ATOM 541 CZ ARG A 39 2.096 12.450 -7.967 1.00 0.00 C ATOM 542 NH1 ARG A 39 1.526 11.329 -8.313 1.00 0.00 N ATOM 543 NH2 ARG A 39 1.932 13.552 -8.645 1.00 0.00 N ATOM 0 H ARG A 39 5.562 11.676 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 39 4.959 9.728 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.987 12.020 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.670 11.134 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.370 12.490 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.394 13.429 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.727 12.195 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.196 10.813 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 39 2.509 12.880 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.677 10.487 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.929 11.294 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.394 14.410 -8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.342 13.556 -9.477 1.00 0.00 H new ATOM 557 N ASN A 40 6.862 8.663 -3.192 1.00 0.00 N ATOM 558 CA ASN A 40 7.921 7.679 -2.809 1.00 0.00 C ATOM 559 C ASN A 40 7.894 6.466 -3.743 1.00 0.00 C ATOM 560 O ASN A 40 6.843 5.930 -4.042 1.00 0.00 O ATOM 561 CB ASN A 40 7.683 7.235 -1.354 1.00 0.00 C ATOM 562 CG ASN A 40 7.834 8.429 -0.393 1.00 0.00 C ATOM 563 OD1 ASN A 40 8.294 9.497 -0.750 1.00 0.00 O ATOM 564 ND2 ASN A 40 7.457 8.285 0.846 1.00 0.00 N ATOM 0 H ASN A 40 6.140 8.805 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 40 8.900 8.149 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.685 6.807 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.393 6.453 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.550 9.062 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.069 7.396 1.161 1.00 0.00 H new ATOM 571 N CYS A 41 9.078 6.098 -4.156 1.00 0.00 N ATOM 572 CA CYS A 41 9.286 4.942 -5.076 1.00 0.00 C ATOM 573 C CYS A 41 9.587 3.663 -4.287 1.00 0.00 C ATOM 574 O CYS A 41 10.355 3.693 -3.345 1.00 0.00 O ATOM 575 CB CYS A 41 10.446 5.325 -6.007 1.00 0.00 C ATOM 576 SG CYS A 41 10.126 6.782 -7.034 1.00 0.00 S ATOM 0 H CYS A 41 9.940 6.569 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 41 8.388 4.732 -5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 41 11.335 5.508 -5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 41 10.670 4.479 -6.657 1.00 0.00 H new ATOM 581 N ASP A 42 8.970 2.580 -4.698 1.00 0.00 N ATOM 582 CA ASP A 42 9.178 1.267 -4.015 1.00 0.00 C ATOM 583 C ASP A 42 9.514 0.165 -5.050 1.00 0.00 C ATOM 584 O ASP A 42 8.651 -0.599 -5.444 1.00 0.00 O ATOM 585 CB ASP A 42 7.886 0.928 -3.233 1.00 0.00 C ATOM 586 CG ASP A 42 8.173 -0.208 -2.243 1.00 0.00 C ATOM 587 OD1 ASP A 42 8.252 -1.322 -2.728 1.00 0.00 O ATOM 588 OD2 ASP A 42 8.298 0.096 -1.069 1.00 0.00 O ATOM 0 H ASP A 42 8.324 2.552 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 42 10.020 1.325 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.529 1.809 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.097 0.632 -3.924 1.00 0.00 H new ATOM 593 N PRO A 43 10.765 0.109 -5.466 1.00 0.00 N ATOM 594 CA PRO A 43 11.226 -0.900 -6.454 1.00 0.00 C ATOM 595 C PRO A 43 10.919 -2.342 -6.034 1.00 0.00 C ATOM 596 O PRO A 43 10.755 -3.195 -6.885 1.00 0.00 O ATOM 597 CB PRO A 43 12.734 -0.663 -6.628 1.00 0.00 C ATOM 598 CG PRO A 43 13.104 0.586 -5.785 1.00 0.00 C ATOM 599 CD PRO A 43 11.848 1.026 -5.010 1.00 0.00 C ATOM 0 HA PRO A 43 10.689 -0.778 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.301 -1.533 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.980 -0.505 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.915 0.354 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.455 1.391 -6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.002 0.948 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.599 2.066 -5.222 1.00 0.00 H new ATOM 607 N ARG A 44 10.848 -2.573 -4.745 1.00 0.00 N ATOM 608 CA ARG A 44 10.549 -3.945 -4.248 1.00 0.00 C ATOM 609 C ARG A 44 9.189 -4.375 -4.806 1.00 0.00 C ATOM 610 O ARG A 44 9.054 -5.472 -5.308 1.00 0.00 O ATOM 611 CB ARG A 44 10.529 -3.932 -2.700 1.00 0.00 C ATOM 612 CG ARG A 44 10.521 -5.384 -2.146 1.00 0.00 C ATOM 613 CD ARG A 44 11.953 -5.981 -2.119 1.00 0.00 C ATOM 614 NE ARG A 44 12.063 -7.056 -3.156 1.00 0.00 N ATOM 615 CZ ARG A 44 12.336 -6.750 -4.397 1.00 0.00 C ATOM 616 NH1 ARG A 44 13.491 -6.214 -4.687 1.00 0.00 N ATOM 617 NH2 ARG A 44 11.433 -6.990 -5.306 1.00 0.00 N ATOM 0 H ARG A 44 10.985 -1.869 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 44 11.311 -4.651 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.401 -3.397 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.648 -3.396 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.102 -5.390 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.875 -6.008 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.688 -5.199 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.170 -6.389 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 44 11.924 -8.032 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.171 -6.037 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.713 -5.972 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.540 -7.406 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.619 -6.761 -6.282 1.00 0.00 H new ATOM 631 N ILE A 45 8.227 -3.490 -4.702 1.00 0.00 N ATOM 632 CA ILE A 45 6.861 -3.795 -5.215 1.00 0.00 C ATOM 633 C ILE A 45 6.952 -3.955 -6.730 1.00 0.00 C ATOM 634 O ILE A 45 7.762 -3.330 -7.386 1.00 0.00 O ATOM 635 CB ILE A 45 5.898 -2.624 -4.811 1.00 0.00 C ATOM 636 CG1 ILE A 45 5.273 -3.003 -3.447 1.00 0.00 C ATOM 637 CG2 ILE A 45 4.741 -2.423 -5.834 1.00 0.00 C ATOM 638 CD1 ILE A 45 4.806 -1.743 -2.686 1.00 0.00 C ATOM 0 H ILE A 45 8.333 -2.567 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 45 6.466 -4.717 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 45 6.471 -1.697 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.427 -3.673 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.003 -3.546 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.105 -1.601 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.158 -2.191 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.149 -3.336 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.370 -2.036 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.659 -1.087 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.059 -1.216 -3.279 1.00 0.00 H new ATOM 650 N ALA A 46 6.090 -4.806 -7.209 1.00 0.00 N ATOM 651 CA ALA A 46 6.011 -5.113 -8.664 1.00 0.00 C ATOM 652 C ALA A 46 4.646 -4.683 -9.177 1.00 0.00 C ATOM 653 O ALA A 46 4.534 -4.112 -10.245 1.00 0.00 O ATOM 654 CB ALA A 46 6.198 -6.607 -8.851 1.00 0.00 C ATOM 0 H ALA A 46 5.418 -5.316 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 46 6.785 -4.581 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.143 -6.851 -9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.172 -6.904 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.414 -7.142 -8.315 1.00 0.00 H new ATOM 660 N TYR A 47 3.648 -4.977 -8.382 1.00 0.00 N ATOM 661 CA TYR A 47 2.243 -4.616 -8.759 1.00 0.00 C ATOM 662 C TYR A 47 1.300 -4.929 -7.594 1.00 0.00 C ATOM 663 O TYR A 47 1.747 -5.199 -6.498 1.00 0.00 O ATOM 664 CB TYR A 47 1.821 -5.429 -10.032 1.00 0.00 C ATOM 665 CG TYR A 47 2.415 -6.851 -10.012 1.00 0.00 C ATOM 666 CD1 TYR A 47 1.913 -7.817 -9.162 1.00 0.00 C ATOM 667 CD2 TYR A 47 3.465 -7.180 -10.850 1.00 0.00 C ATOM 668 CE1 TYR A 47 2.452 -9.087 -9.153 1.00 0.00 C ATOM 669 CE2 TYR A 47 4.001 -8.448 -10.838 1.00 0.00 C ATOM 670 CZ TYR A 47 3.499 -9.410 -9.990 1.00 0.00 C ATOM 671 OH TYR A 47 4.037 -10.681 -9.981 1.00 0.00 O ATOM 0 H TYR A 47 3.744 -5.453 -7.485 1.00 0.00 H new ATOM 0 HA TYR A 47 2.185 -3.550 -8.981 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.734 -5.488 -10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.156 -4.906 -10.928 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.094 -7.577 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.868 -6.435 -11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.050 -9.834 -8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.821 -8.690 -11.498 1.00 0.00 H new ATOM 0 HH TYR A 47 3.778 -11.140 -9.155 1.00 0.00 H new ATOM 681 N GLY A 48 0.020 -4.878 -7.865 1.00 0.00 N ATOM 682 CA GLY A 48 -1.007 -5.162 -6.819 1.00 0.00 C ATOM 683 C GLY A 48 -1.963 -6.249 -7.311 1.00 0.00 C ATOM 684 O GLY A 48 -2.704 -6.034 -8.251 1.00 0.00 O ATOM 0 H GLY A 48 -0.362 -4.648 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.521 -5.483 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.563 -4.254 -6.587 1.00 0.00 H new ATOM 688 N ILE A 49 -1.919 -7.386 -6.660 1.00 0.00 N ATOM 689 CA ILE A 49 -2.813 -8.519 -7.051 1.00 0.00 C ATOM 690 C ILE A 49 -4.183 -8.195 -6.438 1.00 0.00 C ATOM 691 O ILE A 49 -4.337 -8.221 -5.234 1.00 0.00 O ATOM 692 CB ILE A 49 -2.237 -9.845 -6.470 1.00 0.00 C ATOM 693 CG1 ILE A 49 -0.821 -10.162 -7.060 1.00 0.00 C ATOM 694 CG2 ILE A 49 -3.212 -11.017 -6.758 1.00 0.00 C ATOM 695 CD1 ILE A 49 -0.829 -10.171 -8.607 1.00 0.00 C ATOM 0 H ILE A 49 -1.300 -7.578 -5.872 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.892 -8.642 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.129 -9.722 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.106 -9.420 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.484 -11.131 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.802 -11.940 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.176 -10.811 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.344 -11.125 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.172 -10.395 -8.975 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.525 -10.931 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.141 -9.193 -8.975 1.00 0.00 H new ATOM 707 N CYS A 50 -5.138 -7.897 -7.284 1.00 0.00 N ATOM 708 CA CYS A 50 -6.512 -7.558 -6.802 1.00 0.00 C ATOM 709 C CYS A 50 -7.461 -8.752 -7.000 1.00 0.00 C ATOM 710 O CYS A 50 -7.192 -9.598 -7.832 1.00 0.00 O ATOM 711 CB CYS A 50 -7.019 -6.336 -7.591 1.00 0.00 C ATOM 712 SG CYS A 50 -5.884 -4.938 -7.776 1.00 0.00 S ATOM 0 H CYS A 50 -5.023 -7.874 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.482 -7.326 -5.737 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.305 -6.673 -8.588 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -7.925 -5.973 -7.105 1.00 0.00 H new ATOM 717 N PRO A 51 -8.541 -8.799 -6.244 1.00 0.00 N ATOM 718 CA PRO A 51 -9.601 -9.820 -6.451 1.00 0.00 C ATOM 719 C PRO A 51 -10.251 -9.562 -7.817 1.00 0.00 C ATOM 720 O PRO A 51 -10.644 -10.479 -8.512 1.00 0.00 O ATOM 721 CB PRO A 51 -10.580 -9.653 -5.283 1.00 0.00 C ATOM 722 CG PRO A 51 -10.100 -8.426 -4.454 1.00 0.00 C ATOM 723 CD PRO A 51 -8.835 -7.864 -5.124 1.00 0.00 C ATOM 0 HA PRO A 51 -9.230 -10.845 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.594 -9.497 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.599 -10.551 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.880 -7.665 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.888 -8.720 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.000 -6.850 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.004 -7.818 -4.420 1.00 0.00 H new ATOM 731 N LEU A 52 -10.330 -8.294 -8.139 1.00 0.00 N ATOM 732 CA LEU A 52 -10.926 -7.838 -9.430 1.00 0.00 C ATOM 733 C LEU A 52 -9.769 -7.693 -10.440 1.00 0.00 C ATOM 734 O LEU A 52 -9.686 -6.719 -11.164 1.00 0.00 O ATOM 735 CB LEU A 52 -11.639 -6.486 -9.174 1.00 0.00 C ATOM 736 CG LEU A 52 -12.727 -6.232 -10.261 1.00 0.00 C ATOM 737 CD1 LEU A 52 -14.117 -6.609 -9.701 1.00 0.00 C ATOM 738 CD2 LEU A 52 -12.729 -4.738 -10.652 1.00 0.00 C ATOM 0 H LEU A 52 -9.996 -7.537 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.658 -8.540 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.098 -6.491 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.910 -5.676 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.507 -6.841 -11.138 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.877 -6.431 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.123 -7.663 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.333 -6.000 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.490 -4.562 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.947 -4.132 -9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.751 -4.464 -11.048 1.00 0.00 H new ATOM 750 N ALA A 53 -8.915 -8.692 -10.438 1.00 0.00 N ATOM 751 CA ALA A 53 -7.715 -8.759 -11.334 1.00 0.00 C ATOM 752 C ALA A 53 -6.692 -7.657 -10.967 1.00 0.00 C ATOM 753 O ALA A 53 -6.833 -6.544 -11.452 1.00 0.00 O ATOM 754 CB ALA A 53 -8.184 -8.619 -12.821 1.00 0.00 C ATOM 755 OXT ALA A 53 -5.804 -7.994 -10.198 1.00 0.00 O ATOM 0 H ALA A 53 -9.008 -9.500 -9.822 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.217 -9.719 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.318 -8.666 -13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.871 -9.430 -13.064 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.690 -7.663 -12.954 1.00 0.00 H new TER 761 ALA A 53